Product operator (NMR)

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Revision as of 11:21, 19 January 2009 by imported>David E. Volk (→‎90 degree pulses)
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In the various fields of nuclear magnetic resonance, the product operator mathematical formalism is often used to simplify both the design and the interpretation of often very complex sequences of radio frequency electromagnetic pulses applied to samples under study. Basically, it is a short hand mathematical construct, a set of equations, that is used in place of more complex, although equivalent, matrix multiplication. The formalism uses a rotating frame of reference, in which the central irradiation frequency, say 800 MHz, is fixed on the X- or Y-axis, and the magnetic field, by convention, points towards the postive Z-axis. By convention, I and S indicate magnetic vectors associated with protons or heteroatom, respectively. Subscripts are used to indicate the axial orientation of the magnetic vector. At equilibrium, the net proton magnetic vector is thus Iz.

Single Pulses (rotations)

90 degree pulses

So called 90 degree pulses, in which magnetization is rotated from one axis to another, are the most widely used single pulses in NMR spectroscopy. The effects of such a pulse can be written succinctly as:

Iz -->(90z) --> Iz (no change)

Iz -->(90x) --> -Iy

Iz -->(90y) --> -Ix

Ix -->(90x) --> Ix (no change)

Ix -->(90y) --> Iz

Ix -->(90z) --> -Iy

Iy -->(90y) --> Iy (no change)

Iy -->(90z) --> Ix

Iy -->(90x) --> -Iz

Arbitrary pulses (rotations)

Iz -->(z) --> Iz (no change)

Iz -->(x) --> -Iysin() + Ixcos()

Iz -->(y) --> -Ixsin() - Ixcos()


Ix -->(x) --> Ix (no change)

Ix -->(y) --> Izsin() + Ixcos()


Ix -->(z) --> -Iysin() + Ixcos()


Iy -->(90y) --> Iy (no change)

Iy -->(90z) --> Ix

Iy -->(90x) --> -Iz

Chemical Shift Operators

Delay Operators

J-coupling Operators